methyl 1-tert-butylsulfonylpiperidine-4-carboxylate

C11H21NO4S — CID 62492505

IUPACmethyl 1-tert-butylsulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C11H21NO4S/c1-11(2,3)17(14,15)12-7-5-9(6-8-12)10(13)16-4/h9H,5-8H2,1-4H3
InChIKeyAQFLZISLEUOOET-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.00
Rot. Bonds2

About methyl 1-tert-butylsulfonylpiperidine-4-carboxylate

methyl 1-tert-butylsulfonylpiperidine-4-carboxylate (PubChem CID 62492505) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 1-tert-butylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-tert-butylsulfonylpiperidine-4-carboxylate
PubChem CID62492505
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-tert-butylsulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C11H21NO4S/c1-11(2,3)17(14,15)12-7-5-9(6-8-12)10(13)16-4/h9H,5-8H2,1-4H3
InChIKeyAQFLZISLEUOOET-UHFFFAOYSA-N
XLogP1.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-tert-butylsulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butylsulfonyl-4-chloropiperidine
CID 63689196
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate
CID 115602676
methyl 1-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylate
CID 114680638
methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7961507
methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
CID 47362555
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
methyl 1-[(3R)-3-aminopiperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 102984420
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219
methyl 1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-4-carboxylate
CID 79255174

Frequently Asked Questions

What is the IUPAC name of methyl 1-tert-butylsulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-tert-butylsulfonylpiperidine-4-carboxylate (CID 62492505) is methyl 1-tert-butylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-tert-butylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-tert-butylsulfonylpiperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of methyl 1-tert-butylsulfonylpiperidine-4-carboxylate?
The InChIKey is AQFLZISLEUOOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(2,3)17(14,15)12-7-5-9(6-8-12)10(13)16-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 1-tert-butylsulfonylpiperidine-4-carboxylate?
methyl 1-tert-butylsulfonylpiperidine-4-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-tert-butylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 62492505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).